SCHEMBL380767

SCHEMBL380767

NCCCC[C@H](NCC(=O)O)C(=O)O.[Co]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
GSR P00390 1/20 0.47
RNPEP Q9H4A4 1/20 0.46
SLC6A5 Q9Y345 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
GGT1 P19440 1/20 0.42
CPB2 Q96IY4 5/20 0.42
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLG P00747 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL50111 0.98 FOLH1 (0.57) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL43620 0.98 FOLH1 (0.57) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL28109489 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
Water SCHEMBL28073715 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
Water SCHEMBL380638 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL901403 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL11155336 0.92 FOLH1 (0.50) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL11148798 0.92 FOLH1 (0.50) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL28165413 0.92 FOLH1 (0.50) FOLH1GSRRNPEPSLC6A5MMP2
Trifluoroacetic Acid SCHEMBL28362804 0.89 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408927-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-01-25 EP disclosed